SCHEMBL25734239

SCHEMBL25734239

CS(=O)(=O)N1CCc2ccc(C(=O)O)cc2C1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.58
ESR2 Q92731 1/20 0.58
AKR1C3 P42330 15/20 0.57
AKR1C1 Q04828 1/20 0.53
KDM2B Q8NHM5 1/20 0.53
ALDH1A1 P00352 1/20 0.50
MYC P01106 1/20 0.49
HRH3 Q9Y5N1 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3176615 0.94 ESR1 (0.67) ESR1ESR2AKR1C3AKR1C1KDM2B
SCHEMBL25734241 0.88 HDAC1 (0.51) ESR1ESR2AKR1C3AKR1C1KDM2B
SCHEMBL25734238 0.82 ESR2 (0.67) ESR1ESR2AKR1C3AKR1C1KDM2B
SCHEMBL3280649 0.82 AKR1C3 (0.76) ESR2AKR1C3AKR1C1
SCHEMBL3181883 0.80 ESR2 (0.88) ESR1ESR2AKR1C3KDM2BHRH3
SCHEMBL1413449 0.80 ALDH1A1 (0.58) AKR1C3ALDH1A1MYC
SCHEMBL3184605 0.79 ESR1 (0.62) ESR1ESR2AKR1C3KDM2BALDH1A1
SCHEMBL3282591 0.79 AKR1C3 (0.53) AKR1C3AKR1C1
SCHEMBL3284957 0.79 AKR1C3 (0.73) ESR2AKR1C3AKR1C1
SCHEMBL4012085 0.79 AKR1C3 (0.73) AKR1C3AKR1C1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230143250-A1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 13 INHIBITORS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2023-05-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230143250-A1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 13 INHIBITORS AND METHODS OF USE THEREOF HSD17B1, HSD17B13, HSD17B3 ESR1 2488/4885ESR2 823/4885AKR1C3 47/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.